UCSF

ZINC48251546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 9.43 -31.41 1 3 1 31 248.346 4
Hi High (pH 8-9.5) 2.90 7.23 -4.82 0 3 0 30 247.338 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )